(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol

C9H11F3N2O — CID 131463737

IUPAC(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O/c1-5(15)8(13)6-2-7(4-14-3-6)9(10,11)12/h2-5,8,15H,13H2,1H3/t5-,8-/m0/s1
InChIKeyALQDTCRFQXWWQK-XNCJUZBTSA-N
MW220.19 g/mol
LogP1.48
Rot. Bonds2

About (1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol

(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol (PubChem CID 131463737) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
PubChem CID131463737
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O/c1-5(15)8(13)6-2-7(4-14-3-6)9(10,11)12/h2-5,8,15H,13H2,1H3/t5-,8-/m0/s1
InChIKeyALQDTCRFQXWWQK-XNCJUZBTSA-N
XLogP1.48
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol (CID 131463737) is (1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol is C[C@H](O)[C@H](N)c1cncc(C(F)(F)F)c1.
What is the InChIKey of (1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol?
The InChIKey is ALQDTCRFQXWWQK-XNCJUZBTSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5(15)8(13)6-2-7(4-14-3-6)9(10,11)12/h2-5,8,15H,13H2,1H3/t5-,8-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol?
(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol has a molecular weight of 220.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 131463737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).